N-(1,3-diphenylprop-2-ynyl)aniline

C21H17N — CID 11196846

IUPACN-(1,3-diphenylprop-2-ynyl)aniline
SMILESC(#CC(Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21-22H
InChIKeyYOPGOHAFTCICOM-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.89
Rot. Bonds3

About N-(1,3-diphenylprop-2-ynyl)aniline

N-(1,3-diphenylprop-2-ynyl)aniline (PubChem CID 11196846) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1,3-diphenylprop-2-ynyl)aniline.

Molecular Properties

Compound NameN-(1,3-diphenylprop-2-ynyl)aniline
PubChem CID11196846
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC NameN-(1,3-diphenylprop-2-ynyl)aniline
SMILESC(#CC(Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21-22H
InChIKeyYOPGOHAFTCICOM-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]aniline
CID 11371889
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]aniline
CID 45358247
N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
CID 102188659
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-[(1R)-3-cyclopropyl-1-phenylprop-2-ynyl]aniline
CID 175391459
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
CID 101260861
methyl N-(1,3-diphenylprop-2-ynyl)carbamate
CID 102372923
N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
CID 86086708
N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]-2-methoxyaniline
CID 11646828
2-phenylethynylbenzene;dihydrochloride
CID 174927104
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylprop-2-ynyl)aniline?
The IUPAC name of N-(1,3-diphenylprop-2-ynyl)aniline (CID 11196846) is N-(1,3-diphenylprop-2-ynyl)aniline.
What is the SMILES notation for N-(1,3-diphenylprop-2-ynyl)aniline?
The canonical SMILES for N-(1,3-diphenylprop-2-ynyl)aniline is C(#CC(Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylprop-2-ynyl)aniline?
The InChIKey is YOPGOHAFTCICOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21-22H.
What are the key properties of N-(1,3-diphenylprop-2-ynyl)aniline?
N-(1,3-diphenylprop-2-ynyl)aniline has a molecular weight of 283.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylprop-2-ynyl)aniline is sourced from PubChem (CID 11196846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).